COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679818
Chemical Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-methylbut-3-yn-2-yl)acetamide
Smiles: CCCCn1c(SCC(=O)NC(C#C)(C)C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 391.49
Empirical Formula: C18H25N5O3S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.054
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 2

     

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